SCHEMBL25848577 — predicted protein targets

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	PAK1	Q13153	4/20	0.39

▸	PKN1	Q16512	1/20	0.37

▸	MAP3K12	Q12852	3/20	0.36

▸	NTRK1	P04629	2/20	0.35

▸	AAK1	Q2M2I8	1/20	0.35

▸	PIK3R1	P27986	2/20	0.34

▸	PIK3CA	P42336	2/20	0.34

▸	ACACB	O00763	1/20	0.34

▸	ACACA	Q13085	1/20	0.34

▸	PIK3CG	P48736	4/20	0.33

▸	BTK	Q06187	1/20	0.33

▸	ITK	Q08881	1/20	0.33

▸	KIT	P10721	1/20	0.33

▸	LRRK2	Q5S007	1/20	0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30491236	1.00	PAK1 (0.39)	PAK1PKN1MAP3K12NTRK1AAK1
SCHEMBL25848588	1.00	PAK1 (0.39)	PAK1PKN1MAP3K12NTRK1AAK1
SCHEMBL25839900	0.93	PAK1 (0.38)	PAK1PKN1MAP3K12NTRK1AAK1
SCHEMBL25848044	0.92	MAP3K12 (0.37)	PAK1MAP3K12PIK3CG
SCHEMBL31150760	0.92	MAP3K12 (0.37)	PAK1MAP3K12PIK3CG
SCHEMBL25849339	0.91	MAP3K12 (0.36)	PAK1PKN1MAP3K12NTRK1AAK1
SCHEMBL25839912	0.91	MAP3K12 (0.36)	PAK1PKN1MAP3K12NTRK1AAK1
SCHEMBL30491292	0.91	MAP3K12 (0.36)	PAK1PKN1MAP3K12NTRK1AAK1
SCHEMBL25302515	0.90	PIK3CA (0.41)	PAK1PKN1AAK1PIK3CAPIK3CG
SCHEMBL25303876	0.90	PIK3CG (0.38)	PAK1PKN1MAP3K12AAK1PIK3R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2023131122-A1	FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF	劲方医药科技(上海)有限公司	2023-07-13	—	—	WO	disclosed